1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine

C17H27NO — CID 80683608

IUPAC1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)C2(C)CCCCO2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)15-8-6-14(7-9-15)12-16(18)17(3)10-4-5-11-19-17/h6-9,13,16H,4-5,10-12,18H2,1-3H3
InChIKeyFJQRWHLTBWXBGI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.64
Rot. Bonds4

About 1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine

1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 80683608) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID80683608
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(CC(N)C2(C)CCCCO2)cc1
InChIInChI=1S/C17H27NO/c1-13(2)15-8-6-14(7-9-15)12-16(18)17(3)10-4-5-11-19-17/h6-9,13,16H,4-5,10-12,18H2,1-3H3
InChIKeyFJQRWHLTBWXBGI-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methoxy-3-phenylpropan-2-amine
CID 5106602
2-(4-benzyl-2-isopropyltetrahydro-2H-pyran-4-yl)ethanamine hydrochloride
CID 16192589
2-(2-ethyl-4-(4-fluorophenyl)-2-methyltetrahydro-2H-pyran-4-yl)ethanamine
CID 3132830
2-Amino-4-(4-octylphenyl)butan-1-ol
CID 10064206
(2R)-2-amino-4-(4-octylphenyl)butan-1-ol
CID 11608833
(2S)-2-amino-4-(4-octylphenyl)butan-1-ol
CID 54149192
1-(Oxan-4-yl)-1-phenylmethanamine
CID 54593643
N'-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-methylphenyl)propyl]-N,N-dimethylethane-1,2-diamine
CID 4973317
2-(2-Isopropyl-4-p-tolyl-tetrahydro-pyran-4-yl)-ethylamine
CID 2965330
3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-3-(4-fluoro-phenyl)-propylamine
CID 3129812
2-[4-benzyl-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethanamine
CID 3100236
Cambridge id 6000352
CID 3132829

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine (CID 80683608) is 1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(CC(N)C2(C)CCCCO2)cc1.
What is the InChIKey of 1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is FJQRWHLTBWXBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)15-8-6-14(7-9-15)12-16(18)17(3)10-4-5-11-19-17/h6-9,13,16H,4-5,10-12,18H2,1-3H3.
What are the key properties of 1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine?
1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 261.41 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 80683608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).